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(25R)-5a-Spirostan-3-One
[CAS# 470-07-5]

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CAS#: 470-07-5
Product: (25R)-5a-Spirostan-3-One
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Identification
Name (25R)-5a-Spirostan-3-One
Synonyms 3-Dehydrotigogenin; 5Alpha-Spirostan-3-One, (25R)-; Spirostan-3-One, (5Alpha,25R)-
Molecular Structure CAS#: 470-07-5, (25R)-5a-Spirostan-3-One
Molecular Formula C27H42O3
Molecular Weight 414.63
CAS Registry Number 470-07-5
SMILES [C@H]34[C@@]([C@@H]2[C@@H](O[C@@]1(OC[C@@H](CC1)C)[C@H]2C)C3)(CC[C@H]5[C@H]4CC[C@@H]6[C@@]5(CCC(=O)C6)C)C
InChI 1S/C27H42O3/c1-16-7-12-27(29-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(28)8-10-25(18,3)21(20)9-11-26(22,24)4/h16-18,20-24H,5-15H2,1-4H3/t16-,17+,18+,20-,21+,22+,23+,24+,25+,26+,27-/m1/s1
InChIKey CIBAPVLFORANSS-AIEOQHCFSA-N
Properties
Density 1.111g/cm3 (Cal.)
Boiling point 514.75°C at 760 mmHg (Cal.)
Flash point 257.545°C (Cal.)
Market Analysis Reports
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